2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine

C11H16N4 — CID 103389827

IUPAC2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H16N4/c1-8(6-12)13-7-11-14-9-4-2-3-5-10(9)15-11/h2-5,8,13H,6-7,12H2,1H3,(H,14,15)
InChIKeyWVKCEUKYSFCBLN-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.00
Rot. Bonds4

About 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine

2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine (PubChem CID 103389827) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
PubChem CID103389827
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H16N4/c1-8(6-12)13-7-11-14-9-4-2-3-5-10(9)15-11/h2-5,8,13H,6-7,12H2,1H3,(H,14,15)
InChIKeyWVKCEUKYSFCBLN-UHFFFAOYSA-N
XLogP1.00
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
(2S,3S)-2-(1H-benzimidazol-2-ylmethylamino)-3-methylpentanamide;dihydrochloride
CID 70049399
1H-benzimidazol-2-ylmethanamine;hydrate
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N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 113220506
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
CID 107354364
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655252
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CID 150607804
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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine (CID 103389827) is 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine is CC(CN)NCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine?
The InChIKey is WVKCEUKYSFCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8(6-12)13-7-11-14-9-4-2-3-5-10(9)15-11/h2-5,8,13H,6-7,12H2,1H3,(H,14,15).
What are the key properties of 2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine?
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.00, 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-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103389827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).