4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide

C26H23Cl2N3O3 — CID 59874735

IUPAC4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(NCC1CC1)c1ccc(OCc2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H23Cl2N3O3/c27-19-9-7-18(20(28)12-19)14-33-24-11-17(26(32)29-13-16-5-6-16)8-10-23(24)34-15-25-30-21-3-1-2-4-22(21)31-25/h1-4,7-12,16H,5-6,13-15H2,(H,29,32)(H,30,31)
InChIKeyYXAWAOPRLWWHIO-UHFFFAOYSA-N
MW496.39 g/mol
LogP6.17
Rot. Bonds9

About 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide

4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 59874735) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID59874735
Molecular FormulaC26H23Cl2N3O3
Molecular Weight496.39 g/mol
Exact Mass495.11
IUPAC Name4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(NCC1CC1)c1ccc(OCc2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H23Cl2N3O3/c27-19-9-7-18(20(28)12-19)14-33-24-11-17(26(32)29-13-16-5-6-16)8-10-23(24)34-15-25-30-21-3-1-2-4-22(21)31-25/h1-4,7-12,16H,5-6,13-15H2,(H,29,32)(H,30,31)
InChIKeyYXAWAOPRLWWHIO-UHFFFAOYSA-N
XLogP6.17
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide
CID 59874743
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 66526676
N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 66526653
3-(1H-benzimidazol-2-yl)-N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66528626
4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-bromophenyl)methoxy]benzoic acid
CID 59874737
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 66526965
2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 24812205
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 66527055
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
CID 170152724
2-(1H-benzimidazol-2-yl)-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 66537131
2-(1H-benzimidazol-2-yl)-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ethanamine
CID 66537551

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide (CID 59874735) is 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide is O=C(NCC1CC1)c1ccc(OCc2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is YXAWAOPRLWWHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O3/c27-19-9-7-18(20(28)12-19)14-33-24-11-17(26(32)29-13-16-5-6-16)8-10-23(24)34-15-25-30-21-3-1-2-4-22(21)31-25/h1-4,7-12,16H,5-6,13-15H2,(H,29,32)(H,30,31).
What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide?
4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 496.39 g/mol, XLogP of 6.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 59874735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).