6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide

C20H18ClFN4O — CID 90723341

IUPAC6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C20H18ClFN4O/c1-10-3-5-14(22)18-17(10)13(11(2)24-18)7-8-23-20(27)19-25-15-6-4-12(21)9-16(15)26-19/h3-6,9,24H,7-8H2,1-2H3,(H,23,27)(H,25,26)
InChIKeySAACZZYDJHPXJA-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.43
Rot. Bonds4

About 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide

6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 90723341) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
PubChem CID90723341
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C20H18ClFN4O/c1-10-3-5-14(22)18-17(10)13(11(2)24-18)7-8-23-20(27)19-25-15-6-4-12(21)9-16(15)26-19/h3-6,9,24H,7-8H2,1-2H3,(H,23,27)(H,25,26)
InChIKeySAACZZYDJHPXJA-UHFFFAOYSA-N
XLogP4.43
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 91163173
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 25173160
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide
CID 91159836
2-(3-chloro-5-fluorophenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 25125315
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142027
2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide
CID 44625269
6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
CID 44625343
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
CID 25142295
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 77084249
3-[(E)-3-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid
CID 163689140
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide (CID 90723341) is 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is SAACZZYDJHPXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-10-3-5-14(22)18-17(10)13(11(2)24-18)7-8-23-20(27)19-25-15-6-4-12(21)9-16(15)26-19/h3-6,9,24H,7-8H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide?
6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 90723341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).