7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide

C27H24Cl2FN5O2 — CID 53357214

IUPAC7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(NC(=O)c2cc(Cl)c3nc(-c4c(F)cccc4Cl)[nH]c3c2)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C27H24Cl2FN5O2/c1-13(2)35-21-9-8-15(27(3,4)37)12-19(21)32-26(35)34-25(36)14-10-17(29)23-20(11-14)31-24(33-23)22-16(28)6-5-7-18(22)30/h5-13,37H,1-4H3,(H,31,33)(H,32,34,36)
InChIKeyUGZYARZOMMDPNS-UHFFFAOYSA-N
MW540.43 g/mol
LogP7.09
Rot. Bonds5

About 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide

7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 53357214) has the molecular formula C27H24Cl2FN5O2 and a molecular weight of 540.43 g/mol. Its IUPAC name is 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID53357214
Molecular FormulaC27H24Cl2FN5O2
Molecular Weight540.43 g/mol
Exact Mass539.13
IUPAC Name7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(NC(=O)c2cc(Cl)c3nc(-c4c(F)cccc4Cl)[nH]c3c2)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C27H24Cl2FN5O2/c1-13(2)35-21-9-8-15(27(3,4)37)12-19(21)32-26(35)34-25(36)14-10-17(29)23-20(11-14)31-24(33-23)22-16(28)6-5-7-18(22)30/h5-13,37H,1-4H3,(H,31,33)(H,32,34,36)
InChIKeyUGZYARZOMMDPNS-UHFFFAOYSA-N
XLogP7.09
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.43
LogP ≤ 57.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 67379014
N-(1-butylbenzimidazol-2-yl)-7-chloro-2-(2-chloro-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 53357728
7-chloro-2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 53357037
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
2-(2-chloro-6-fluorophenyl)-N-(6-iodo-1H-benzimidazol-2-yl)-7-methyl-3H-benzimidazole-5-carboxamide
CID 67380503
5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide
CID 123799524
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965561
N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide
CID 68791286
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide (CID 53357214) is 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide is CC(C)n1c(NC(=O)c2cc(Cl)c3nc(-c4c(F)cccc4Cl)[nH]c3c2)nc2cc(C(C)(C)O)ccc21.
What is the InChIKey of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UGZYARZOMMDPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2FN5O2/c1-13(2)35-21-9-8-15(27(3,4)37)12-19(21)32-26(35)34-25(36)14-10-17(29)23-20(11-14)31-24(33-23)22-16(28)6-5-7-18(22)30/h5-13,37H,1-4H3,(H,31,33)(H,32,34,36).
What are the key properties of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide?
7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 540.43 g/mol, XLogP of 7.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloro-6-fluorophenyl)-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazol-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 53357214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).