1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine

C17H19N3 — CID 114917404

IUPAC1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
SMILESCc1ccc2nc(C(N)CCc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H19N3/c1-12-7-10-15-16(11-12)20-17(19-15)14(18)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,18H2,1H3,(H,19,20)
InChIKeyUECNUWWUKUHVGA-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.50
Rot. Bonds4

About 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine

1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine (PubChem CID 114917404) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
PubChem CID114917404
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
SMILESCc1ccc2nc(C(N)CCc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H19N3/c1-12-7-10-15-16(11-12)20-17(19-15)14(18)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,18H2,1H3,(H,19,20)
InChIKeyUECNUWWUKUHVGA-UHFFFAOYSA-N
XLogP3.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
CID 114918250
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82336142
2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 114917465
1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine
CID 114917451
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
CID 3009971
N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 45182727

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine (CID 114917404) is 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine is Cc1ccc2nc(C(N)CCc3ccccc3)[nH]c2c1.
What is the InChIKey of 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine?
The InChIKey is UECNUWWUKUHVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-7-10-15-16(11-12)20-17(19-15)14(18)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine?
1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 114917404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).