2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride

C13H20Cl2N4O — CID 119854415

IUPAC2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
SMILESCCCCc1nc2ccc(NC(=O)CN)cc2[nH]1.Cl.Cl
InChIInChI=1S/C13H18N4O.2ClH/c1-2-3-4-12-16-10-6-5-9(7-11(10)17-12)15-13(18)8-14;;/h5-7H,2-4,8,14H2,1H3,(H,15,18)(H,16,17);2*1H
InChIKeyIVAZUPGRQQDEKM-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.65
Rot. Bonds5

About 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride

2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride (PubChem CID 119854415) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
PubChem CID119854415
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
SMILESCCCCc1nc2ccc(NC(=O)CN)cc2[nH]1.Cl.Cl
InChIInChI=1S/C13H18N4O.2ClH/c1-2-3-4-12-16-10-6-5-9(7-11(10)17-12)15-13(18)8-14;;/h5-7H,2-4,8,14H2,1H3,(H,15,18)(H,16,17);2*1H
InChIKeyIVAZUPGRQQDEKM-UHFFFAOYSA-N
XLogP2.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120503091
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CID 119854404
N-(2-butyl-3H-benzimidazol-5-yl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86880295
N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
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CID 126779606
N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 47074114
(2R)-2-amino-3-[(2-butyl-3H-benzimidazol-5-yl)amino]-2-[(3-cyanophenyl)methyl]-3-oxopropanoic acid
CID 154504002
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 90832108

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride (CID 119854415) is 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride is CCCCc1nc2ccc(NC(=O)CN)cc2[nH]1.Cl.Cl.
What is the InChIKey of 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride?
The InChIKey is IVAZUPGRQQDEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.2ClH/c1-2-3-4-12-16-10-6-5-9(7-11(10)17-12)15-13(18)8-14;;/h5-7H,2-4,8,14H2,1H3,(H,15,18)(H,16,17);2*1H.
What are the key properties of 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride?
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride has a molecular weight of 319.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119854415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).