5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride

C16H16ClN5O — CID 154591707

IUPAC5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.NCCc1nc2ccccc2n1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15N5O.ClH/c17-8-7-15-18-12-3-1-2-4-14(12)21(15)10-5-6-11-13(9-10)20-16(22)19-11;/h1-6,9H,7-8,17H2,(H2,19,20,22);1H
InChIKeyULPMXVZVUUFSFK-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.12
Rot. Bonds3

About 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride

5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride (PubChem CID 154591707) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
PubChem CID154591707
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.NCCc1nc2ccccc2n1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15N5O.ClH/c17-8-7-15-18-12-3-1-2-4-14(12)21(15)10-5-6-11-13(9-10)20-16(22)19-11;/h1-6,9H,7-8,17H2,(H2,19,20,22);1H
InChIKeyULPMXVZVUUFSFK-UHFFFAOYSA-N
XLogP2.12
TPSA92.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazol-2-yl]propanoate
CID 149401055
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
CID 63637547
2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
CID 82486748
2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethanamine
CID 83421083
2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 82513889
5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one
CID 50975788
1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one
CID 82899574
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 105370562
2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 66320697

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride (CID 154591707) is 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride is Cl.NCCc1nc2ccccc2n1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The InChIKey is ULPMXVZVUUFSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O.ClH/c17-8-7-15-18-12-3-1-2-4-14(12)21(15)10-5-6-11-13(9-10)20-16(22)19-11;/h1-6,9H,7-8,17H2,(H2,19,20,22);1H.
What are the key properties of 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride has a molecular weight of 329.79 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 154591707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).