1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one

C10H12N4O — CID 157412307

IUPAC1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
SMILESNCC(=O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N4O/c11-5-7(15)6-12-10-13-8-3-1-2-4-9(8)14-10/h1-4H,5-6,11H2,(H2,12,13,14)
InChIKeyBOKTUMCCZBATBL-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.50
Rot. Bonds4

About 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one

1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one (PubChem CID 157412307) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
PubChem CID157412307
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
SMILESNCC(=O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N4O/c11-5-7(15)6-12-10-13-8-3-1-2-4-9(8)14-10/h1-4H,5-6,11H2,(H2,12,13,14)
InChIKeyBOKTUMCCZBATBL-UHFFFAOYSA-N
XLogP0.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
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N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
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1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
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N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
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N-(2-bromoethyl)-1H-benzimidazol-2-amine
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3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
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4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
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CID 20557848

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one?
The IUPAC name of 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one (CID 157412307) is 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one.
What is the SMILES notation for 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one?
The canonical SMILES for 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one is NCC(=O)CNc1nc2ccccc2[nH]1.
What is the InChIKey of 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one?
The InChIKey is BOKTUMCCZBATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-5-7(15)6-12-10-13-8-3-1-2-4-9(8)14-10/h1-4H,5-6,11H2,(H2,12,13,14).
What are the key properties of 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one?
1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one is sourced from PubChem (CID 157412307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).