(1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide

C20H30N4O2 — CID 154822077

IUPAC(1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)NCc2nc3ccccc3n2CC)C[C@H]1N
InChIInChI=1S/C20H30N4O2/c1-3-11-26-18-10-9-14(12-15(18)21)20(25)22-13-19-23-16-7-5-6-8-17(16)24(19)4-2/h5-8,14-15,18H,3-4,9-13,21H2,1-2H3,(H,22,25)/t14-,15+,18+/m0/s1
InChIKeyWXIGQWJENFBOKM-HDMKZQKVSA-N
MW358.49 g/mol
LogP2.60
Rot. Bonds7

About (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide

(1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide (PubChem CID 154822077) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide
PubChem CID154822077
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)NCc2nc3ccccc3n2CC)C[C@H]1N
InChIInChI=1S/C20H30N4O2/c1-3-11-26-18-10-9-14(12-15(18)21)20(25)22-13-19-23-16-7-5-6-8-17(16)24(19)4-2/h5-8,14-15,18H,3-4,9-13,21H2,1-2H3,(H,22,25)/t14-,15+,18+/m0/s1
InChIKeyWXIGQWJENFBOKM-HDMKZQKVSA-N
XLogP2.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969834
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969907
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 71684963
(1S,3R,4R)-3-amino-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-propoxycyclohexane-1-carboxamide
CID 155503218
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide (CID 154822077) is (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide is CCCO[C@@H]1CC[C@H](C(=O)NCc2nc3ccccc3n2CC)C[C@H]1N.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide?
The InChIKey is WXIGQWJENFBOKM-HDMKZQKVSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-11-26-18-10-9-14(12-15(18)21)20(25)22-13-19-23-16-7-5-6-8-17(16)24(19)4-2/h5-8,14-15,18H,3-4,9-13,21H2,1-2H3,(H,22,25)/t14-,15+,18+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide?
(1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 154822077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).