2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine

C12H18N4 — CID 65191883

IUPAC2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H18N4/c1-8(2)11(7-13)16-12-14-9-5-3-4-6-10(9)15-12/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyGPNKVOYDFQSWJT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds4

About 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine

2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 65191883) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
PubChem CID65191883
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H18N4/c1-8(2)11(7-13)16-12-14-9-5-3-4-6-10(9)15-12/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyGPNKVOYDFQSWJT-UHFFFAOYSA-N
XLogP1.96
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine
CID 131963123

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine (CID 65191883) is 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine is CC(C)C(CN)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is GPNKVOYDFQSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(2)11(7-13)16-12-14-9-5-3-4-6-10(9)15-12/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 65191883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).