1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine

C16H19N5 — CID 66141196

IUPAC1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C1CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H19N5/c1-11(16-19-14-4-2-3-5-15(14)20-16)18-9-13-8-17-10-21(13)12-6-7-12/h2-5,8,10-12,18H,6-7,9H2,1H3,(H,19,20)
InChIKeyQRQFWBBZISAPTO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds5

About 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine

1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine (PubChem CID 66141196) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
PubChem CID66141196
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C1CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H19N5/c1-11(16-19-14-4-2-3-5-15(14)20-16)18-9-13-8-17-10-21(13)12-6-7-12/h2-5,8,10-12,18H,6-7,9H2,1H3,(H,19,20)
InChIKeyQRQFWBBZISAPTO-UHFFFAOYSA-N
XLogP2.95
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 66162293
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747856
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
1-(1H-benzimidazol-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397290
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 66162549
1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 63668582

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine (CID 66141196) is 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine is CC(NCc1cncn1C1CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The InChIKey is QRQFWBBZISAPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(16-19-14-4-2-3-5-15(14)20-16)18-9-13-8-17-10-21(13)12-6-7-12/h2-5,8,10-12,18H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66141196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).