N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

C18H24N4O2 — CID 18116519

IUPACN-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)CNC(=O)C1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c1-12(17-21-14-9-5-6-10-15(14)22-17)20-16(23)11-19-18(24)13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,24)(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyAQROZICSQQTIJC-LBPRGKRZSA-N
MW328.42 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18116519) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18116519
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)CNC(=O)C1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c1-12(17-21-14-9-5-6-10-15(14)22-17)20-16(23)11-19-18(24)13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,24)(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyAQROZICSQQTIJC-LBPRGKRZSA-N
XLogP2.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
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CID 751231
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[2-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41200270
N-[2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17466097
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CID 1079144
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
CID 2531246

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 18116519) is N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is AQROZICSQQTIJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(17-21-14-9-5-6-10-15(14)22-17)20-16(23)11-19-18(24)13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,24)(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18116519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).