N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide

C23H26ClN3O2 — CID 18733799

IUPACN-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C23H26ClN3O2/c1-3-11-26(23(28)17-5-4-6-19(12-17)29-2)15-22-25-20-10-9-18(24)13-21(20)27(22)14-16-7-8-16/h4-6,9-10,12-13,16H,3,7-8,11,14-15H2,1-2H3
InChIKeySVWRBPTUKPDYFU-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.16
Rot. Bonds8

About N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide

N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide (PubChem CID 18733799) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
PubChem CID18733799
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C23H26ClN3O2/c1-3-11-26(23(28)17-5-4-6-19(12-17)29-2)15-22-25-20-10-9-18(24)13-21(20)27(22)14-16-7-8-16/h4-6,9-10,12-13,16H,3,7-8,11,14-15H2,1-2H3
InChIKeySVWRBPTUKPDYFU-UHFFFAOYSA-N
XLogP5.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide
CID 18733805
3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732823
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 18733977
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
CID 18733832
N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide
CID 18733508
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
3-methoxy-N,N-dipropylbenzamide
CID 669439
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
CID 18732623
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
CID 18733828
3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-fluoro-2-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 160521253

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide?
The IUPAC name of N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide (CID 18733799) is N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide.
What is the SMILES notation for N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide?
The canonical SMILES for N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide is CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide?
The InChIKey is SVWRBPTUKPDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-3-11-26(23(28)17-5-4-6-19(12-17)29-2)15-22-25-20-10-9-18(24)13-21(20)27(22)14-16-7-8-16/h4-6,9-10,12-13,16H,3,7-8,11,14-15H2,1-2H3.
What are the key properties of N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide?
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide has a molecular weight of 411.93 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide is sourced from PubChem (CID 18733799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).