1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride

C14H20Cl2N4O — CID 119838245

IUPAC1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H18N4O.2ClH/c15-14(7-8-14)13(19)16-9-3-6-12-17-10-4-1-2-5-11(10)18-12;;/h1-2,4-5H,3,6-9,15H2,(H,16,19)(H,17,18);2*1H
InChIKeyDYMRJMQQRDJWTQ-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.95
Rot. Bonds5

About 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119838245) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119838245
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H18N4O.2ClH/c15-14(7-8-14)13(19)16-9-3-6-12-17-10-4-1-2-5-11(10)18-12;;/h1-2,4-5H,3,6-9,15H2,(H,16,19)(H,17,18);2*1H
InChIKeyDYMRJMQQRDJWTQ-UHFFFAOYSA-N
XLogP1.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 118768183
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71827812
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 34708595

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119838245) is 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCCCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is DYMRJMQQRDJWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c15-14(7-8-14)13(19)16-9-3-6-12-17-10-4-1-2-5-11(10)18-12;;/h1-2,4-5H,3,6-9,15H2,(H,16,19)(H,17,18);2*1H.
What are the key properties of 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119838245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).