N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide

C20H24ClN3OS — CID 18733957

IUPACN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(C)s1
InChIInChI=1S/C20H24ClN3OS/c1-4-10-23(20(25)18-9-6-14(3)26-18)13-19-22-16-8-7-15(21)12-17(16)24(19)11-5-2/h6-9,12H,4-5,10-11,13H2,1-3H3
InChIKeyIXNUWUALFMLLPZ-UHFFFAOYSA-N
MW389.95 g/mol
LogP5.52
Rot. Bonds7

About N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide (PubChem CID 18733957) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
PubChem CID18733957
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(C)s1
InChIInChI=1S/C20H24ClN3OS/c1-4-10-23(20(25)18-9-6-14(3)26-18)13-19-22-16-8-7-15(21)12-17(16)24(19)11-5-2/h6-9,12H,4-5,10-11,13H2,1-3H3
InChIKeyIXNUWUALFMLLPZ-UHFFFAOYSA-N
XLogP5.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.95
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
CID 18733832
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732823
5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 18734202
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide
CID 18733972

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide (CID 18733957) is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide is CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(C)s1.
What is the InChIKey of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is IXNUWUALFMLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c1-4-10-23(20(25)18-9-6-14(3)26-18)13-19-22-16-8-7-15(21)12-17(16)24(19)11-5-2/h6-9,12H,4-5,10-11,13H2,1-3H3.
What are the key properties of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide?
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 389.95 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 18733957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).