N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride

C15H22Cl2N4O — CID 119834530

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-10(17-14(20)9-16-8-11-6-7-11)15-18-12-4-2-3-5-13(12)19-15;;/h2-5,10-11,16H,6-9H2,1H3,(H,17,20)(H,18,19);2*1H
InChIKeyBPNHSZDTAAZUNC-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.58
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride (PubChem CID 119834530) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
PubChem CID119834530
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-10(17-14(20)9-16-8-11-6-7-11)15-18-12-4-2-3-5-13(12)19-15;;/h2-5,10-11,16H,6-9H2,1H3,(H,17,20)(H,18,19);2*1H
InChIKeyBPNHSZDTAAZUNC-UHFFFAOYSA-N
XLogP2.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
CID 124589881
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 41259236
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride (CID 119834530) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride is CC(NC(=O)CNCC1CC1)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
The InChIKey is BPNHSZDTAAZUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-10(17-14(20)9-16-8-11-6-7-11)15-18-12-4-2-3-5-13(12)19-15;;/h2-5,10-11,16H,6-9H2,1H3,(H,17,20)(H,18,19);2*1H.
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119834530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).