ethane;N-propyl-1H-benzimidazol-2-amine

C14H25N3 — CID 145154327

IUPACethane;N-propyl-1H-benzimidazol-2-amine
SMILESCC.CC.CCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3.2C2H6/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10;2*1-2/h3-6H,2,7H2,1H3,(H2,11,12,13);2*1-2H3
InChIKeyNEZGSFRORGEJRN-UHFFFAOYSA-N
MW235.38 g/mol
LogP4.44
Rot. Bonds3

About ethane;N-propyl-1H-benzimidazol-2-amine

ethane;N-propyl-1H-benzimidazol-2-amine (PubChem CID 145154327) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is ethane;N-propyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Nameethane;N-propyl-1H-benzimidazol-2-amine
PubChem CID145154327
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Nameethane;N-propyl-1H-benzimidazol-2-amine
SMILESCC.CC.CCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3.2C2H6/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10;2*1-2/h3-6H,2,7H2,1H3,(H2,11,12,13);2*1-2H3
InChIKeyNEZGSFRORGEJRN-UHFFFAOYSA-N
XLogP4.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 146123718
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
CID 55023552

Frequently Asked Questions

What is the IUPAC name of ethane;N-propyl-1H-benzimidazol-2-amine?
The IUPAC name of ethane;N-propyl-1H-benzimidazol-2-amine (CID 145154327) is ethane;N-propyl-1H-benzimidazol-2-amine.
What is the SMILES notation for ethane;N-propyl-1H-benzimidazol-2-amine?
The canonical SMILES for ethane;N-propyl-1H-benzimidazol-2-amine is CC.CC.CCCNc1nc2ccccc2[nH]1.
What is the InChIKey of ethane;N-propyl-1H-benzimidazol-2-amine?
The InChIKey is NEZGSFRORGEJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.2C2H6/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10;2*1-2/h3-6H,2,7H2,1H3,(H2,11,12,13);2*1-2H3.
What are the key properties of ethane;N-propyl-1H-benzimidazol-2-amine?
ethane;N-propyl-1H-benzimidazol-2-amine has a molecular weight of 235.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 145154327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).