N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide

C16H17N3OS — CID 17406287

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3OS/c20-16(9-3-5-12-6-4-10-21-12)17-11-15-18-13-7-1-2-8-14(13)19-15/h1-2,4,6-8,10H,3,5,9,11H2,(H,17,20)(H,18,19)
InChIKeyUYLROOORAXUQSL-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.26
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide

N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide (PubChem CID 17406287) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
PubChem CID17406287
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3OS/c20-16(9-3-5-12-6-4-10-21-12)17-11-15-18-13-7-1-2-8-14(13)19-15/h1-2,4,6-8,10H,3,5,9,11H2,(H,17,20)(H,18,19)
InChIKeyUYLROOORAXUQSL-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
4-(1H-benzimidazol-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide
CID 46411184
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
1-[2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-1,3-thiazol-4-yl]-3-thiophen-2-ylpropan-1-one
CID 149291393
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 18105142
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide (CID 17406287) is N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is UYLROOORAXUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(9-3-5-12-6-4-10-21-12)17-11-15-18-13-7-1-2-8-14(13)19-15/h1-2,4,6-8,10H,3,5,9,11H2,(H,17,20)(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide?
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 17406287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).