N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

C16H19N3S — CID 62673016

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(C)c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C16H19N3S/c1-3-12(15-9-6-10-20-15)17-11(2)16-18-13-7-4-5-8-14(13)19-16/h4-12,17H,3H2,1-2H3,(H,18,19)
InChIKeyLMFCTIWTGLTRHD-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.43
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 62673016) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID62673016
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(C)c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C16H19N3S/c1-3-12(15-9-6-10-20-15)17-11(2)16-18-13-7-4-5-8-14(13)19-16/h4-12,17H,3H2,1-2H3,(H,18,19)
InChIKeyLMFCTIWTGLTRHD-UHFFFAOYSA-N
XLogP4.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
CID 62672499
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine
CID 62671424
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51923975
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18116431

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 62673016) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is CCC(NC(C)c1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is LMFCTIWTGLTRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-12(15-9-6-10-20-15)17-11(2)16-18-13-7-4-5-8-14(13)19-16/h4-12,17H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62673016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).