2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C18H25N5O2 — CID 60542277

IUPAC2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCn1c(CNC(=O)CNC(=O)NC2CCCCC2)nc2ccccc21
InChIInChI=1S/C18H25N5O2/c1-23-15-10-6-5-9-14(15)22-16(23)11-19-17(24)12-20-18(25)21-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,19,24)(H2,20,21,25)
InChIKeyVXWHXVMIOKBCBN-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.82
Rot. Bonds5

About 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 60542277) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID60542277
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCn1c(CNC(=O)CNC(=O)NC2CCCCC2)nc2ccccc21
InChIInChI=1S/C18H25N5O2/c1-23-15-10-6-5-9-14(15)22-16(23)11-19-17(24)12-20-18(25)21-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,19,24)(H2,20,21,25)
InChIKeyVXWHXVMIOKBCBN-UHFFFAOYSA-N
XLogP1.82
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
N-[2-[(1-methylbenzimidazol-2-yl)methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55408628
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91823103
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 51999832
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 51510547
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 60542277) is 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is Cn1c(CNC(=O)CNC(=O)NC2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is VXWHXVMIOKBCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-23-15-10-6-5-9-14(15)22-16(23)11-19-17(24)12-20-18(25)21-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,19,24)(H2,20,21,25).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 60542277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).