5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide

C20H24BrN3OS — CID 18733185

IUPAC5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCCn1c(CN(CCC(C)C)C(=O)c2ccc(Br)s2)nc2ccccc21
InChIInChI=1S/C20H24BrN3OS/c1-4-24-16-8-6-5-7-15(16)22-19(24)13-23(12-11-14(2)3)20(25)17-9-10-18(21)26-17/h5-10,14H,4,11-13H2,1-3H3
InChIKeyOSOZJFAKJBPPOT-UHFFFAOYSA-N
MW434.40 g/mol
LogP5.57
Rot. Bonds7

About 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide

5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide (PubChem CID 18733185) has the molecular formula C20H24BrN3OS and a molecular weight of 434.40 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide
PubChem CID18733185
Molecular FormulaC20H24BrN3OS
Molecular Weight434.40 g/mol
Exact Mass433.08
IUPAC Name5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCCn1c(CN(CCC(C)C)C(=O)c2ccc(Br)s2)nc2ccccc21
InChIInChI=1S/C20H24BrN3OS/c1-4-24-16-8-6-5-7-15(16)22-19(24)13-23(12-11-14(2)3)20(25)17-9-10-18(21)26-17/h5-10,14H,4,11-13H2,1-3H3
InChIKeyOSOZJFAKJBPPOT-UHFFFAOYSA-N
XLogP5.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 18734660
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18732892
5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 18734202
1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967691
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865433
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide (CID 18733185) is 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide is CCn1c(CN(CCC(C)C)C(=O)c2ccc(Br)s2)nc2ccccc21.
What is the InChIKey of 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is OSOZJFAKJBPPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3OS/c1-4-24-16-8-6-5-7-15(16)22-19(24)13-23(12-11-14(2)3)20(25)17-9-10-18(21)26-17/h5-10,14H,4,11-13H2,1-3H3.
What are the key properties of 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 434.40 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 18733185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).