1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide

C18H25N5O2 — CID 119060351

IUPAC1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
SMILESCC(NC(=O)NC1(C(N)=O)CCCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N5O2/c1-12(15-21-13-8-4-5-9-14(13)22-15)20-17(25)23-18(16(19)24)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,19,24)(H,21,22)(H2,20,23,25)
InChIKeyKDOQSFJCTDUCLW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.50
Rot. Bonds4

About 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide

1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide (PubChem CID 119060351) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
PubChem CID119060351
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
SMILESCC(NC(=O)NC1(C(N)=O)CCCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N5O2/c1-12(15-21-13-8-4-5-9-14(13)22-15)20-17(25)23-18(16(19)24)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,19,24)(H,21,22)(H2,20,23,25)
InChIKeyKDOQSFJCTDUCLW-UHFFFAOYSA-N
XLogP2.50
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 78925715
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 2328668
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 126449238
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331862
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide (CID 119060351) is 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide is CC(NC(=O)NC1(C(N)=O)CCCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide?
The InChIKey is KDOQSFJCTDUCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(15-21-13-8-4-5-9-14(13)22-15)20-17(25)23-18(16(19)24)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,19,24)(H,21,22)(H2,20,23,25).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide?
1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide is sourced from PubChem (CID 119060351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).